dec-7-ene-2,3-diol

C10H20O2 — CID 142773808

IUPACdec-7-ene-2,3-diol
SMILESCCC=CCCCC(O)C(C)O
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-8-10(12)9(2)11/h4-5,9-12H,3,6-8H2,1-2H3
InChIKeyVKMDGDAASYWMIY-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.86
Rot. Bonds6

About dec-7-ene-2,3-diol

dec-7-ene-2,3-diol (PubChem CID 142773808) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is dec-7-ene-2,3-diol.

Molecular Properties

Compound Namedec-7-ene-2,3-diol
PubChem CID142773808
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namedec-7-ene-2,3-diol
SMILESCCC=CCCCC(O)C(C)O
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-8-10(12)9(2)11/h4-5,9-12H,3,6-8H2,1-2H3
InChIKeyVKMDGDAASYWMIY-UHFFFAOYSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,2S)-non-6-en-2-ol
CID 12835465
(Z)-non-6-en-2-ol
CID 12835464
8-methylnon-3-ene
CID 54424784
(E,2R)-dec-7-en-2-ol
CID 89151124
(E)-undec-8-en-2-ol
CID 118316981
(Z)-non-6-ene-1,1-diol
CID 170555028
8-methyldec-3-ene
CID 54115614
(3E,8E,15E,20E)-12-propan-2-yltricosa-3,8,15,20-tetraene
CID 177270175
10-methylundec-3-ene
CID 544769
(Z)-2-methylnon-6-enenitrile
CID 10773147
4-methylnonan-5-ol;tetradec-11-enal
CID 173274081
henicosa-6,9,12,15,18-pentaen-2-ylcyclopropane
CID 123601956

Frequently Asked Questions

What is the IUPAC name of dec-7-ene-2,3-diol?
The IUPAC name of dec-7-ene-2,3-diol (CID 142773808) is dec-7-ene-2,3-diol.
What is the SMILES notation for dec-7-ene-2,3-diol?
The canonical SMILES for dec-7-ene-2,3-diol is CCC=CCCCC(O)C(C)O.
What is the InChIKey of dec-7-ene-2,3-diol?
The InChIKey is VKMDGDAASYWMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-5-6-7-8-10(12)9(2)11/h4-5,9-12H,3,6-8H2,1-2H3.
What are the key properties of dec-7-ene-2,3-diol?
dec-7-ene-2,3-diol has a molecular weight of 172.27 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-7-ene-2,3-diol is sourced from PubChem (CID 142773808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).